(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

C20H28N4O2 — CID 97285815

IUPAC(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1noc(CC2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-14-7-5-6-8-17(14)19(23(3)4)20(25)24-11-9-16(10-12-24)13-18-21-15(2)22-26-18/h5-8,16,19H,9-13H2,1-4H3/t19-/m1/s1
InChIKeyGDNATWFMZVQVTL-LJQANCHMSA-N
MW356.47 g/mol
LogP2.77
Rot. Bonds5

About (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 97285815) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID97285815
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1noc(CC2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-14-7-5-6-8-17(14)19(23(3)4)20(25)24-11-9-16(10-12-24)13-18-21-15(2)22-26-18/h5-8,16,19H,9-13H2,1-4H3/t19-/m1/s1
InChIKeyGDNATWFMZVQVTL-LJQANCHMSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 97198728
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
3-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156603139
1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone
CID 155266461
1-(4-benzylpiperidin-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 56790495
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 74234418
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438
5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97282767

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone (CID 97285815) is (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone is Cc1noc(CC2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)n1.
What is the InChIKey of (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is GDNATWFMZVQVTL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-7-5-6-8-17(14)19(23(3)4)20(25)24-11-9-16(10-12-24)13-18-21-15(2)22-26-18/h5-8,16,19H,9-13H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 97285815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).